CAS RN: 76584-70-8

Divalproex sodium

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260311 100g In stock Shenzhen Inquiry
Batchno.20250413 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260428 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batchno.20260426 25g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250731 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS76584-70-8
  • Purity/Analytical Methods: >99.0%
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76584-70-8 / sodium;2-propylpentanoate;2-propylpentanoic acid

Standard CAS: 76584-70-8 Multi CAS: Yes

Basic Information

CAS
76584-70-8
Multi CAS
Yes
Molecular Formula
C16H31NAO4
Molecular Weight
310.400000
Exact Mass
310.212004
InChI
InChI=1S/2C8H16O2.Na/c2*1-3-5-7(6-4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+1/p-1
InChIKey
MSRILKIQRXUYCT-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.88
Rotatable bonds
10
H-bond acceptors
3
H-bond donors
1
Molar refractivity
79.25
TPSA
77.43

LogP / Solubility

WLOGP
0.24
MLOGP
0.23
XLogP3
0.24
Consensus LogP
0.24
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.08
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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